3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione

C14H16BrFN2O2 — CID 107598669

IUPAC3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(Nc2c(F)cccc2Br)C1=O
InChIInChI=1S/C14H16BrFN2O2/c1-3-8(2)18-12(19)7-11(14(18)20)17-13-9(15)5-4-6-10(13)16/h4-6,8,11,17H,3,7H2,1-2H3
InChIKeyLDMAWPDEPLBZTK-UHFFFAOYSA-N
MW343.20 g/mol
LogP2.93
Rot. Bonds4

About 3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione

3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione (PubChem CID 107598669) has the molecular formula C14H16BrFN2O2 and a molecular weight of 343.20 g/mol. Its IUPAC name is 3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione
PubChem CID107598669
Molecular FormulaC14H16BrFN2O2
Molecular Weight343.20 g/mol
Exact Mass342.04
IUPAC Name3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(Nc2c(F)cccc2Br)C1=O
InChIInChI=1S/C14H16BrFN2O2/c1-3-8(2)18-12(19)7-11(14(18)20)17-13-9(15)5-4-6-10(13)16/h4-6,8,11,17H,3,7H2,1-2H3
InChIKeyLDMAWPDEPLBZTK-UHFFFAOYSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromo-2-methylanilino)-1-butan-2-ylpyrrolidine-2,5-dione
CID 107633469
1-butan-2-yl-3-(2,5-difluoroanilino)pyrrolidine-2,5-dione
CID 43638216
1-butan-2-yl-3-(2-fluoro-4-methylanilino)pyrrolidine-2,5-dione
CID 43638252
1-butan-2-yl-3-(3-fluoro-4-methoxyanilino)pyrrolidine-2,5-dione
CID 43638292
1-butan-2-yl-3-(3-chloroanilino)pyrrolidine-2,5-dione
CID 43638142
1-butan-2-yl-3-(2-chloro-5-fluoroanilino)pyrrolidine-2,5-dione
CID 107528066
4-(2-bromo-6-fluoroanilino)-1-methyl-3,4-dihydroquinolin-2-one
CID 107598216
1-butan-2-yl-3-(pyridin-3-ylamino)pyrrolidine-2,5-dione
CID 43638129
3-[(4-bromophenyl)methylamino]-1-butan-2-ylpyrrolidine-2,5-dione
CID 60779664
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-6-methylbenzonitrile
CID 107804189
1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione
CID 107851903
1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 60933145

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione (CID 107598669) is 3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(Nc2c(F)cccc2Br)C1=O.
What is the InChIKey of 3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione?
The InChIKey is LDMAWPDEPLBZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O2/c1-3-8(2)18-12(19)7-11(14(18)20)17-13-9(15)5-4-6-10(13)16/h4-6,8,11,17H,3,7H2,1-2H3.
What are the key properties of 3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione?
3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione has a molecular weight of 343.20 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-6-fluoroanilino)-1-butan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 107598669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).